CID 217014

Urea, 1-methyl-3-propyl-

Structural Information

Molecular Formula

C₅H₁₂N₂O

SMILES

CCCNC(=O)NC

InChI

InChI=1S/C5H12N2O/c1-3-4-7-5(8)6-2/h3-4H2,1-2H3,(H2,6,7,8)

InChIKey

XEQNRQBTAKVTJE-UHFFFAOYSA-N

Compound name

1-methyl-3-propylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 333
Patents: 116.09496 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	117.10224	124.7
[M+Na]+	139.08418	133.1
[M+NH4]+	134.12878	132.2
[M+K]+	155.05812	128.4
[M-H]-	115.08768	124.8
[M+Na-2H]-	137.06963	128.4
[M]+	116.09441	125.4
[M]-	116.09551	125.4

Literature stripe

literature stripe

Patent stripe

patents stripe